4-cyclopropyl-2-fluoropiperazine-1-carboxylic acid

C8H13FN2O2 — CID 67249787

IUPAC4-cyclopropyl-2-fluoropiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C2CC2)CC1F
InChIInChI=1S/C8H13FN2O2/c9-7-5-10(6-1-2-6)3-4-11(7)8(12)13/h6-7H,1-5H2,(H,12,13)
InChIKeyPVMQLLOQLWGWFB-UHFFFAOYSA-N
MW188.20 g/mol
LogP0.74
Rot. Bonds1

About 4-cyclopropyl-2-fluoropiperazine-1-carboxylic acid

4-cyclopropyl-2-fluoropiperazine-1-carboxylic acid (PubChem CID 67249787) has the molecular formula C8H13FN2O2 and a molecular weight of 188.20 g/mol. Its IUPAC name is 4-cyclopropyl-2-fluoropiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-fluoropiperazine-1-carboxylic acid
PubChem CID67249787
Molecular FormulaC8H13FN2O2
Molecular Weight188.20 g/mol
Exact Mass188.10
IUPAC Name4-cyclopropyl-2-fluoropiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C2CC2)CC1F
InChIInChI=1S/C8H13FN2O2/c9-7-5-10(6-1-2-6)3-4-11(7)8(12)13/h6-7H,1-5H2,(H,12,13)
InChIKeyPVMQLLOQLWGWFB-UHFFFAOYSA-N
XLogP0.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-fluoropiperazine-1-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-fluoropiperazine-1-carboxylic acid (CID 67249787) is 4-cyclopropyl-2-fluoropiperazine-1-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-fluoropiperazine-1-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-fluoropiperazine-1-carboxylic acid is O=C(O)N1CCN(C2CC2)CC1F.
What is the InChIKey of 4-cyclopropyl-2-fluoropiperazine-1-carboxylic acid?
The InChIKey is PVMQLLOQLWGWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O2/c9-7-5-10(6-1-2-6)3-4-11(7)8(12)13/h6-7H,1-5H2,(H,12,13).
What are the key properties of 4-cyclopropyl-2-fluoropiperazine-1-carboxylic acid?
4-cyclopropyl-2-fluoropiperazine-1-carboxylic acid has a molecular weight of 188.20 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-fluoropiperazine-1-carboxylic acid is sourced from PubChem (CID 67249787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).